(Q105229044)

English

(1R,3S,9S,24R,32R)-32-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

32-Hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione

1 reference

based on heuristic

inferred from SMILES

mass

596.092322348 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₂₄N₂O₉S₂

0 references

canonical SMILES

O=C1OC2C=COC=C3C(O)C45SSC(C(=O)N4C32)(N(C5=O)C)CC6=CC=C(OC)C(OC7=CC1=CC=C7OC)=C6

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isomeric SMILES

COc1ccc2cc1Oc1cc(ccc1OC)C(=O)O[C@H]1C=COC=C3[C@@H]1N1C(=O)[C@@]4(C2)SS[C@@]1(C(=O)N4C)[C@@H]3O

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found in taxon

Cladorrhinum

1 reference

stated in

MPC1001 and its analogues: new antitumor agents from the fungus Cladorrhinum species

Podospora australis

1 reference

stated in

Emestrins: Anti-Cryptococcus Epipolythiodioxopiperazines from Podospora australis.

Identifiers

InChI

InChI=1S/C28H24N2O9S2/c1-29-26(34)28-23(31)16-13-37-9-8-19-22(16)30(28)25(33)27(29,40-41-28)12-14-4-6-17(35-2)20(10-14)38-21-11-15(24(32)39-19)5-7-18(21)36-3/h4-11,13,19,22-23,31H,12H2,1-3H3/t19-,22-,23+,27+,28+/m0/s1

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InChIKey

QVZZDKDFWLWKPS-BZERRRCQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QVZZDKDFWLWKPS-BZERRRCQSA-N

ChEBI ID

205404

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C28H24N2O9S2/c1-29-26(34)28-23(31)16-13-37-9-8-19-22(16)30(28)25(33)27(29,40-41-28)12-14-4-6-17(35-2)20(10-14)38-21-11-15(24(32)39-19)5-7-18(21)36-3/h4-11,13,19,22-23,31H,12H2,1-3H3/t19-,22-,23+,27+,28+/m0/s1

1 reference

Natural Product Atlas ID

NPA008656

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QVZZDKDFWLWKPS-BZERRRCQSA-N

(Q105229044)

(1R,3S,9S,24R,32R)-32-hydroxy-15,19-dimethoxy-28-methyl-6,10,17-trioxa-25,26-dithia-2,28-diazaheptacyclo[22.2.2.11,4.12,24.112,16.118,22.03,9]dotriaconta-4,7,12(31),13,15,18,20,22(30)-octaene-11,27,29-trione

Statements

Identifiers

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